2-[methyl(2-pyrazol-1-ylethyl)amino]-1-piperazin-1-ylethanone

C12H21N5O — CID 54960870

IUPAC2-[methyl(2-pyrazol-1-ylethyl)amino]-1-piperazin-1-ylethanone
SMILESCN(CCn1cccn1)CC(=O)N1CCNCC1
InChIInChI=1S/C12H21N5O/c1-15(9-10-17-6-2-3-14-17)11-12(18)16-7-4-13-5-8-16/h2-3,6,13H,4-5,7-11H2,1H3
InChIKeyRGBYXHCCDMSAHO-UHFFFAOYSA-N
MW251.33 g/mol
LogP-0.75
Rot. Bonds5

About 2-[methyl(2-pyrazol-1-ylethyl)amino]-1-piperazin-1-ylethanone

2-[methyl(2-pyrazol-1-ylethyl)amino]-1-piperazin-1-ylethanone (PubChem CID 54960870) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-[methyl(2-pyrazol-1-ylethyl)amino]-1-piperazin-1-ylethanone.

Molecular Properties

Compound Name2-[methyl(2-pyrazol-1-ylethyl)amino]-1-piperazin-1-ylethanone
PubChem CID54960870
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name2-[methyl(2-pyrazol-1-ylethyl)amino]-1-piperazin-1-ylethanone
SMILESCN(CCn1cccn1)CC(=O)N1CCNCC1
InChIInChI=1S/C12H21N5O/c1-15(9-10-17-6-2-3-14-17)11-12(18)16-7-4-13-5-8-16/h2-3,6,13H,4-5,7-11H2,1H3
InChIKeyRGBYXHCCDMSAHO-UHFFFAOYSA-N
XLogP-0.75
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 5-0.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[methyl(2-pyrazol-1-ylethyl)amino]-1-piperazin-1-ylpropan-1-one
CID 120982786
N-methyl-2-piperazin-1-yl-N-(2-pyrazol-1-ylethyl)ethanamine
CID 63266461
1-piperazin-1-yl-2-pyrazol-1-ylethanone
CID 23070038
2-[methyl-[(4-pyrazol-1-ylphenyl)methyl]amino]-1-piperazin-1-ylethanone;hydrochloride
CID 119915111
2-[3-fluoropropyl(methyl)amino]-1-piperazin-1-ylethanone
CID 81113401
N-(2-oxo-2-piperazin-1-ylethyl)-3-pyrazol-1-ylpropanamide
CID 61176642
2-[methyl(pyridin-4-ylmethyl)amino]-1-piperazin-1-ylethanone
CID 61018269
2-[methyl(2-phenylsulfanylethyl)amino]-1-piperazin-1-ylethanone
CID 61031966
2-[methyl(3,3,3-trifluoropropyl)amino]-1-piperazin-1-ylethanone;hydrochloride
CID 119915067
2-[(1-ethylimidazol-2-yl)-methylamino]-1-piperazin-1-ylethanone
CID 62137503
1-(4-propanoylpiperazin-1-yl)-3-pyrazol-1-ylpropan-1-one
CID 71934218
2-(dimethylamino)-1-piperazin-1-ylethanone
CID 16770302

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(2-pyrazol-1-ylethyl)amino]-1-piperazin-1-ylethanone?
The IUPAC name of 2-[methyl(2-pyrazol-1-ylethyl)amino]-1-piperazin-1-ylethanone (CID 54960870) is 2-[methyl(2-pyrazol-1-ylethyl)amino]-1-piperazin-1-ylethanone.
What is the SMILES notation for 2-[methyl(2-pyrazol-1-ylethyl)amino]-1-piperazin-1-ylethanone?
The canonical SMILES for 2-[methyl(2-pyrazol-1-ylethyl)amino]-1-piperazin-1-ylethanone is CN(CCn1cccn1)CC(=O)N1CCNCC1.
What is the InChIKey of 2-[methyl(2-pyrazol-1-ylethyl)amino]-1-piperazin-1-ylethanone?
The InChIKey is RGBYXHCCDMSAHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-15(9-10-17-6-2-3-14-17)11-12(18)16-7-4-13-5-8-16/h2-3,6,13H,4-5,7-11H2,1H3.
What are the key properties of 2-[methyl(2-pyrazol-1-ylethyl)amino]-1-piperazin-1-ylethanone?
2-[methyl(2-pyrazol-1-ylethyl)amino]-1-piperazin-1-ylethanone has a molecular weight of 251.33 g/mol, XLogP of -0.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(2-pyrazol-1-ylethyl)amino]-1-piperazin-1-ylethanone is sourced from PubChem (CID 54960870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).